SCHEMBL16147346

SCHEMBL16147346

O=C(O)c1cc(N2CCOCC2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.61
PIK3CD O00329 2/20 0.59
PIK3CA P42336 2/20 0.59
PIK3CB P42338 2/20 0.59
PIK3CG P48736 2/20 0.59
SLC16A3 O15427 1/20 0.57
KMO O15229 1/20 0.56
PKM P14618 3/20 0.52
MAPT P10636 3/20 0.52
IP6K1 Q92551 1/20 0.50
ACLY P53396 1/20 0.49
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31536495 1.00 PRKDC (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058525 0.87 PRKDC (0.75) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7275734 0.87 PRKDC (0.60) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL552259 0.86 PRKDC (0.60) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15801109 0.86 PRKDC (0.78) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31536496 0.85 IP6K1 (0.63) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1317583 0.83 IP6K1 (0.66) PKMMAPTIP6K1KDM4EMEN1
SCHEMBL939936 0.83 IP6K1 (0.74) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058325 0.82 PRKDC (0.59) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31536499 0.81 PKM (0.55) PKMMAPTIP6K1KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same NORTH CAROLINA CENTRAL UNIV (US) 2018-12-27 US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 WO disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same GLS2, PC, GLS PRKDC 4156/4885PIK3CD 3144/4885PIK3CA 1972/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS PRKDC 4156/4885PIK3CD 3144/4885PIK3CA 1972/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS PRKDC 4156/4885PIK3CD 3144/4885PIK3CA 1972/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.